CAS RN: 318280-71-6
ETHYL 1-(2-CHLOROACETYL)-4-PIPERIDINECARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS318280-71-6
- Purity/Analytical Methods: >99.0%
318280-71-6 / ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
Basic Information
CAS
318280-71-6
Multi CAS
No
Molecular Formula
C10H16CLNO3
Molecular Weight
233.690000
Exact Mass
233.081871
InChI
InChI=1S/C10H16ClNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
InChIKey
QEHUOCAVXLYCAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.66
TPSA
46.61
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Fluensulfone
- CAS RN: 318290-98-1
- Product Code: starshine_CAS318290-98-1
- Purity/Analytical method: >99.0%
-
-
4,7-Dichloro benzothiophene
- CAS RN: 318463-07-9
- Product Code: starshine_CAS318463-07-9
- Purity/Analytical method: >99.0%
-
2-Carboxybenzoyl Amlodipine
- CAS RN: 318465-73-5
- Product Code: starshine_CAS318465-73-5
- Purity/Analytical method: >99.0%
-
3-Methoxymethyl-1H-pyrazole-4-carboxylic acid methyl ester
- CAS RN: 318496-66-1
- Product Code: starshine_CAS318496-66-1
- Purity/Analytical method: >99.0%
